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1-Phenyl-2-{1-(4-tolyl)ethyl}-propen-1-one
SpectraBase Compound ID 2jIZS4DxLKW
InChI InChI=1S/C18H18O/c1-13-9-11-16(12-10-13)14(2)15(3)18(19)17-7-5-4-6-8-17/h4-12,14H,3H2,1-2H3
InChIKey XBKWCLXWMDMXBO-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C18H18O
Exact Mass 250.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LIdvHLknzFv
Name 1-Phenyl-2-{1-(4-tolyl)ethyl}-propen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.135765199 u
Formula C18H18O
InChI InChI=1S/C18H18O/c1-13-9-11-16(12-10-13)14(2)15(3)18(19)17-7-5-4-6-8-17/h4-12,14H,3H2,1-2H3
InChIKey XBKWCLXWMDMXBO-UHFFFAOYSA-N
Molecular Weight 250.341 g/mol
SMILES C=1C=C(C=CC1C)C(C(=C)C(C1=CC=CC=C1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907325